N-[(3,4-diethoxyphenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide

Systemtic Name: N-[(3,4-diethoxyphenyl)methyl]-2-[(2-methyl-5-nitro-phenyl)-methylsulfonyl-amino]ethanamide Openeye Name: N-[(3,4-diethoxyphenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitro-anilino)acetamide CAS Name: N-[(3,4-diethoxyphenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide IUPAC Name: N-[(3,4-diethoxyphenyl)methyl]-2-(2-methyl-N-methylsulfonyl-5-nitroanilino)acetamide Traditional Name: N-(3,4-diethoxybenzyl)-2-(N-mesyl-2-methyl-5-nitro-anilino)acetamide Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)CN(C2=C(C=CC(=C2)[N+](=O)[O-])C)S(=O)(=O)C)OCC

InChI

InChI=1S/C21H27N3O7S/c1-5-30-19-10-8-16(11-20(19)31-6-2)13-22-21(25)14-23(32(4,28)29)18-12-17(24(26)27)9-7-15(18)3/h7-12H,5-6,13-14H2,1-4H3,(H,22,25)